N-(4-butylphenyl)-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide

Systemtic Name: N-(4-butylphenyl)-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: N-(4-butylphenyl)-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: N-(4-butylphenyl)-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: N-(4-butylphenyl)-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: N-(4-butylphenyl)-5-keto-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Formula: C17H18N3O2S+ MolecularWeight: 328.40872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=CNC3=[N+](C2=O)C=CS3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=CNC3=[N+](C2=O)C=CS3

InChI

InChI=1S/C17H17N3O2S/c1-2-3-4-12-5-7-13(8-6-12)19-15(21)14-11-18-17-20(16(14)22)9-10-23-17/h5-11H,2-4H2,1H3,(H,19,21)/p+1